methyl (E)-8-[(4-methylsulfonylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoate

Systemtic Name: methyl (E)-8-[(4-methylsulfonylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoate Openeye Name: methyl (E)-8-[(4-methylsulfonylphenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]oct-2-enoate CAS Name: (E)-8-[(4-methylsulfonylphenyl)sulfonylamino]-4-[3-(3-pyridinyl)propyl]-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-[(4-methylsulfonylphenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)oct-2-enoate Traditional Name: (E)-8-[(4-mesylphenyl)sulfonylamino]-4-[3-(3-pyridyl)propyl]oct-2-enoic acid methyl ester Formula: C24H32N2O6S2 MolecularWeight: 508.65068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CCCCNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C)CCCC2=CN=CC=C2

Isomeric SMILES

COC(=O)/C=C/C(CCCCNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C)CCCC2=CN=CC=C2

InChI

InChI=1S/C24H32N2O6S2/c1-32-24(27)16-11-20(8-5-9-21-10-6-17-25-19-21)7-3-4-18-26-34(30,31)23-14-12-22(13-15-23)33(2,28)29/h6,10-17,19-20,26H,3-5,7-9,18H2,1-2H3/b16-11+